Toluene → HCID 21948382, compound
Reaction equation
[C:24]([CH3:25])(=[O:26])[NH:27][c:28]1[cH:29][cH:30][c:31](-[c:35]2[cH:36][cH:37][c:38]([C:39](=[O:40])[O:41][CH3:42])[cH:43][cH:44]2)[c:32]([CH3:34])[n:33]1.[CH3:1][CH:2]1[CH2:3][N:4]([c:9]2[c:10]([O:18][CH3:19])[cH:11][c:12]3[c:16]([cH:17]2)[NH:15][CH2:14][CH2:13]3)[CH2:5][CH:6]([CH3:8])[NH:7]1.[CH3:20][Al:21]([CH3:22])[CH3:23].[CH3:45][CH2:46][O:47][CH2:48][CH3:49].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[Cl:50][CH2:51][Cl:52]>>[CH3:1][CH:2]1[CH2:3][N:4]([c:9]2[c:10]([O:18][CH3:19])[cH:11][c:12]3[c:16]([cH:17]2)[N:15]([C:39]([c:38]2[cH:37][cH:36][c:35](-[c:31]4[cH:30][cH:29][c:28]([NH:27][C:24]([CH3:25])=[O:26])[n:33][c:32]4[CH3:34])[cH:44][cH:43]2)=[O:40])[CH2:14][CH2:13]3)[CH2:5][CH:6]([CH3:8])[NH:7]1Participants
7
Sources & evidence
- ORD record
- ord-e2e5eeed0a2246cdb126b62d493a8769
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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